N-(3-chloranyl-4-methyl-phenyl)-3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[(3-cyano-6-isobutyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-[3-cyano-6-(2-methylpropyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-[(3-cyano-6-isobutyl-2-pyridyl)thio]propionamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)CC(C)C)C#N)Cl

InChI

InChI=1S/C20H22ClN3OS/c1-13(2)10-16-7-5-15(12-22)20(24-16)26-9-8-19(25)23-17-6-4-14(3)18(21)11-17/h4-7,11,13H,8-10H2,1-3H3,(H,23,25)